
 143069-08-3

 55 59  0  0  0  0  0  0  0  0999 V2000
    1.7828    1.4978    3.0477 C   0  0  0  0  0
    2.8938    1.1208    2.0728 C   0  0  0  0  0
    3.4706    2.2813    1.3774 N   0  0  0  0  0
    2.4997    2.9200    0.4570 C   0  0  0  0  0
    3.1069    4.0869   -0.3633 C   0  0  0  0  0
    4.3144    3.6377   -1.0957 N   0  0  0  0  0
    5.3056    3.0317   -0.1855 C   0  0  0  0  0
    4.6596    1.8600    0.5908 C   0  0  0  0  0
    4.7722    4.6239   -1.9834 C   0  0  0  0  0
    4.1048    4.7856   -3.2050 C   0  0  0  0  0
    4.4679    5.7886   -4.1132 C   0  0  0  0  0
    5.5050    6.6771   -3.8239 C   0  0  0  0  0
    6.1829    6.5110   -2.6093 C   0  0  0  0  0
    5.8323    5.4923   -1.7110 C   0  0  0  0  0
    5.8164    7.7985   -4.6251 N   0  0  0  0  0
    5.2226    8.2241   -5.8507 C   0  0  0  0  0
    3.8417    8.5660   -5.9143 C   0  0  0  0  0
    2.9773    8.6436   -4.7906 C   0  0  0  0  0
    1.6238    8.9454   -4.9269 C   0  0  0  0  0
    1.1090    9.1976   -6.1879 C   0  0  0  0  0
    1.9591    9.1707   -7.2942 C   0  0  0  0  0
    3.3119    8.8768   -7.1795 C   0  0  0  0  0
    4.0537    8.9135   -8.2932 N   0  0  0  0  0
    5.3613    8.6327   -8.2281 C   0  0  0  0  0
    6.0940    8.7171   -9.4049 C   0  0  0  0  0
    7.4581    8.4268   -9.4512 C   0  0  0  0  0
    8.1086    8.0251   -8.2956 C   0  0  0  0  0
    7.3930    7.9337   -7.1023 C   0  0  0  0  0
    6.0107    8.2563   -7.0375 C   0  0  0  0  0
    1.4924    0.6221    3.6374 H   0  0  0  0  0
    0.8875    1.8523    2.5280 H   0  0  0  0  0
    2.1133    2.2758    3.7433 H   0  0  0  0  0
    2.5190    0.3757    1.3599 H   0  0  0  0  0
    3.6818    0.6326    2.6603 H   0  0  0  0  0
    1.6591    3.3313    1.0270 H   0  0  0  0  0
    2.0945    2.1749   -0.2397 H   0  0  0  0  0
    2.3376    4.4495   -1.0562 H   0  0  0  0  0
    3.3634    4.9135    0.3140 H   0  0  0  0  0
    6.1548    2.6433   -0.7607 H   0  0  0  0  0
    5.6832    3.7666    0.5363 H   0  0  0  0  0
    4.3819    1.0692   -0.1179 H   0  0  0  0  0
    5.4151    1.4453    1.2698 H   0  0  0  0  0
    3.2835    4.1192   -3.4580 H   0  0  0  0  0
    3.9114    5.8635   -5.0432 H   0  0  0  0  0
    6.9812    7.1943   -2.3314 H   0  0  0  0  0
    6.3791    5.4292   -0.7757 H   0  0  0  0  0
    6.7835    8.0839   -4.5303 H   0  0  0  0  0
    3.3663    8.4648   -3.7902 H   0  0  0  0  0
    0.9821    8.9812   -4.0509 H   0  0  0  0  0
    0.0550    9.4283   -6.3164 H   0  0  0  0  0
    1.5543    9.3901   -8.2801 H   0  0  0  0  0
    5.5843    9.0198  -10.3172 H   0  0  0  0  0
    7.9993    8.5075  -10.3896 H   0  0  0  0  0
    9.1672    7.7810   -8.3196 H   0  0  0  0  0
    7.9285    7.5992   -6.2182 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  2  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 29  1  0  0  0
 16 17  2  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 28 29  2  0  0  0
 28 55  1  0  0  0
M  END

>  <Chemical Name>
143069-08-3

>  <PubChem CID>
3072540

>  <Formula>
C25H26N4

>  <Molecular Weight>
382.511000

>  <IUPAC Name>
N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

>  <Isomeric SMILES>
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)

>  <InChI Key>
CUVBGWMAORETGV-UHFFFAOYSA-N

